SCHEMBL29656390

SCHEMBL29656390

CC(C)(C)[S@+]([O-])N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 4/20 0.39
CNR1 P21554 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26597391 1.00 FADS1 (0.44) FADS1NPSR1HTTSMN1; SMN2KMT2A
SCHEMBL26597428 1.00 FADS1 (0.44) FADS1NPSR1HTTSMN1; SMN2KMT2A
SCHEMBL29656234 1.00 FADS1 (0.44) FADS1NPSR1HTTSMN1; SMN2KMT2A
SCHEMBL30644709 1.00 FADS1 (0.44) FADS1NPSR1HTTSMN1; SMN2KMT2A
SCHEMBL26597465 0.87 FADS1 (0.47) FADS1NPSR1HTTSMN1; SMN2KMT2A
SCHEMBL23496445 0.84 SLC10A1 (0.40) FADS1NPSR1HTTSMN1; SMN2KMT2A
SCHEMBL20509792 0.82 KMT2A (0.48) FADS1NPSR1HTTSMN1; SMN2KMT2A
SCHEMBL20510063 0.82 KMT2A (0.48) FADS1NPSR1HTTSMN1; SMN2KMT2A
SCHEMBL20510119 0.81 MAPT (0.46) FADS1NPSR1HTTSMN1; SMN2KMT2A
SCHEMBL20509859 0.81 NPSR1 (0.50) FADS1NPSR1HTTSMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240369-A1 TARGETED CONJUGATES COMPRISING MODIFIED SIRNA Arbutus Biopharma Corporation (CA) 2023-09-13 EP disclosed
CN-116472063-A Targeted conjugates comprising modified siRNAs 阿布特斯生物制药公司 2023-07-21 CN disclosed
WO-2022098990-A1 TARGETED CONJUGATES COMPRISING MODIFIED SIRNA ARBUTUS BIOPHARMA CORPORATION (CA) 2022-05-12 WO disclosed